N-[4-[[(6S)-2',4'-diaminospiro[1,4-oxazepane-6,6'-5H-furo[2,3-d]pyrimidine]-4-yl]methyl]phenyl]acetamide

C19H24N6O3 — CID 124991911

IUPACN-[4-[[(6S)-2',4'-diaminospiro[1,4-oxazepane-6,6'-5H-furo[2,3-d]pyrimidine]-4-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN2CCOC[C@]3(Cc4c(N)nc(N)nc4O3)C2)cc1
InChIInChI=1S/C19H24N6O3/c1-12(26)22-14-4-2-13(3-5-14)9-25-6-7-27-11-19(10-25)8-15-16(20)23-18(21)24-17(15)28-19/h2-5H,6-11H2,1H3,(H,22,26)(H4,20,21,23,24)/t19-/m0/s1
InChIKeyPMMAJUGXYYYYEH-IBGZPJMESA-N
MW384.44 g/mol
LogP0.81
Rot. Bonds3

About N-[4-[[(6S)-2',4'-diaminospiro[1,4-oxazepane-6,6'-5H-furo[2,3-d]pyrimidine]-4-yl]methyl]phenyl]acetamide

N-[4-[[(6S)-2',4'-diaminospiro[1,4-oxazepane-6,6'-5H-furo[2,3-d]pyrimidine]-4-yl]methyl]phenyl]acetamide (PubChem CID 124991911) has the molecular formula C19H24N6O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-[4-[[(6S)-2',4'-diaminospiro[1,4-oxazepane-6,6'-5H-furo[2,3-d]pyrimidine]-4-yl]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(6S)-2',4'-diaminospiro[1,4-oxazepane-6,6'-5H-furo[2,3-d]pyrimidine]-4-yl]methyl]phenyl]acetamide
PubChem CID124991911
Molecular FormulaC19H24N6O3
Molecular Weight384.44 g/mol
Exact Mass384.19
IUPAC NameN-[4-[[(6S)-2',4'-diaminospiro[1,4-oxazepane-6,6'-5H-furo[2,3-d]pyrimidine]-4-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN2CCOC[C@]3(Cc4c(N)nc(N)nc4O3)C2)cc1
InChIInChI=1S/C19H24N6O3/c1-12(26)22-14-4-2-13(3-5-14)9-25-6-7-27-11-19(10-25)8-15-16(20)23-18(21)24-17(15)28-19/h2-5H,6-11H2,1H3,(H,22,26)(H4,20,21,23,24)/t19-/m0/s1
InChIKeyPMMAJUGXYYYYEH-IBGZPJMESA-N
XLogP0.81
TPSA128.62 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[4-[[(6S)-2',4'-diaminospiro[1,4-oxazepane-6,6'-5H-furo[2,3-d]pyrimidine]-4-yl]methyl]phenyl]acetamide with MolForge

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Related Compounds

N-[6-(2',4'-diaminospiro[1,4-oxazepane-6,6'-5H-furo[2,3-d]pyrimidine]-4-yl)-6-oxohexyl]acetamide
CID 110144974
2-[(6R)-2',4'-diaminospiro[1,4-oxazepane-6,6'-5H-furo[2,3-d]pyrimidine]-4-carbonyl]benzoic acid
CID 124988864
2-(4-acetamidophenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 26599953
N-(4-acetylphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 5132306
methyl (3S)-1-[(4-acetamidophenyl)methyl]-3-methylpyrrolidine-3-carboxylate
CID 97160325
3-[[(6R)-2,4-diaminospiro[5H-furo[2,3-d]pyrimidine-6,4'-azepane]-1'-yl]methyl]phenol
CID 124946316
2-amino-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 60672694
1-[(6S)-4-(pyridin-4-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanone
CID 97373177
1-(5-chloro-2-methylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea
CID 17149169
N-(3-amino-4-methylphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 141217445
(2S)-2-amino-4-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]pentanamide
CID 119832107
methyl 3-methyl-2-[[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]carbamoyl]butanoate
CID 70868401

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(6S)-2',4'-diaminospiro[1,4-oxazepane-6,6'-5H-furo[2,3-d]pyrimidine]-4-yl]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[(6S)-2',4'-diaminospiro[1,4-oxazepane-6,6'-5H-furo[2,3-d]pyrimidine]-4-yl]methyl]phenyl]acetamide (CID 124991911) is N-[4-[[(6S)-2',4'-diaminospiro[1,4-oxazepane-6,6'-5H-furo[2,3-d]pyrimidine]-4-yl]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(6S)-2',4'-diaminospiro[1,4-oxazepane-6,6'-5H-furo[2,3-d]pyrimidine]-4-yl]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[(6S)-2',4'-diaminospiro[1,4-oxazepane-6,6'-5H-furo[2,3-d]pyrimidine]-4-yl]methyl]phenyl]acetamide is CC(=O)Nc1ccc(CN2CCOC[C@]3(Cc4c(N)nc(N)nc4O3)C2)cc1.
What is the InChIKey of N-[4-[[(6S)-2',4'-diaminospiro[1,4-oxazepane-6,6'-5H-furo[2,3-d]pyrimidine]-4-yl]methyl]phenyl]acetamide?
The InChIKey is PMMAJUGXYYYYEH-IBGZPJMESA-N. The full InChI is InChI=1S/C19H24N6O3/c1-12(26)22-14-4-2-13(3-5-14)9-25-6-7-27-11-19(10-25)8-15-16(20)23-18(21)24-17(15)28-19/h2-5H,6-11H2,1H3,(H,22,26)(H4,20,21,23,24)/t19-/m0/s1.
What are the key properties of N-[4-[[(6S)-2',4'-diaminospiro[1,4-oxazepane-6,6'-5H-furo[2,3-d]pyrimidine]-4-yl]methyl]phenyl]acetamide?
N-[4-[[(6S)-2',4'-diaminospiro[1,4-oxazepane-6,6'-5H-furo[2,3-d]pyrimidine]-4-yl]methyl]phenyl]acetamide has a molecular weight of 384.44 g/mol, XLogP of 0.81, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(6S)-2',4'-diaminospiro[1,4-oxazepane-6,6'-5H-furo[2,3-d]pyrimidine]-4-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 124991911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).