(2S)-2-acetamido-3-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]butanamide

C17H26N4O3 — CID 32584933

IUPAC(2S)-2-acetamido-3-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]butanamide
SMILESCC(=O)N[C@H](C(=O)NCc1ccnc(N2CCOCC2)c1)C(C)C
InChIInChI=1S/C17H26N4O3/c1-12(2)16(20-13(3)22)17(23)19-11-14-4-5-18-15(10-14)21-6-8-24-9-7-21/h4-5,10,12,16H,6-9,11H2,1-3H3,(H,19,23)(H,20,22)/t16-/m0/s1
InChIKeyHUWLTARRRFCIKC-INIZCTEOSA-N
MW334.42 g/mol
LogP0.70
Rot. Bonds6

About (2S)-2-acetamido-3-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]butanamide

(2S)-2-acetamido-3-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]butanamide (PubChem CID 32584933) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is (2S)-2-acetamido-3-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]butanamide.

Molecular Properties

Compound Name(2S)-2-acetamido-3-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]butanamide
PubChem CID32584933
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name(2S)-2-acetamido-3-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]butanamide
SMILESCC(=O)N[C@H](C(=O)NCc1ccnc(N2CCOCC2)c1)C(C)C
InChIInChI=1S/C17H26N4O3/c1-12(2)16(20-13(3)22)17(23)19-11-14-4-5-18-15(10-14)21-6-8-24-9-7-21/h4-5,10,12,16H,6-9,11H2,1-3H3,(H,19,23)(H,20,22)/t16-/m0/s1
InChIKeyHUWLTARRRFCIKC-INIZCTEOSA-N
XLogP0.70
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-acetamido-3-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]butanamide with MolForge

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Related Compounds

2-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide
CID 32585275
1-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-propan-2-ylurea
CID 36506612
(2S)-2-methylsulfonyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide
CID 94068233
(2R)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 37350981
2-benzylsulfanyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide
CID 47047059
N-[(2-morpholin-4-yl-4-pyridinyl)methyl]butanamide
CID 32585359
3-acetamido-3-(4-bromophenyl)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide
CID 112817440
2-(2-methylphenyl)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]acetamide
CID 32586117
1-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-[(1R)-1-thiophen-2-ylethyl]urea
CID 36974773
benzyl N-[(2S)-1-[[2-(azepan-1-yl)-4-pyridinyl]methylamino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 86897969
(3S)-3-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]morpholine-4-carboxamide
CID 94066498
3-methyl-N-[4-[(2-morpholin-4-yl-4-pyridinyl)methylcarbamoylamino]phenyl]butanamide
CID 55698495

Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-3-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]butanamide?
The IUPAC name of (2S)-2-acetamido-3-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]butanamide (CID 32584933) is (2S)-2-acetamido-3-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]butanamide.
What is the SMILES notation for (2S)-2-acetamido-3-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]butanamide?
The canonical SMILES for (2S)-2-acetamido-3-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]butanamide is CC(=O)N[C@H](C(=O)NCc1ccnc(N2CCOCC2)c1)C(C)C.
What is the InChIKey of (2S)-2-acetamido-3-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]butanamide?
The InChIKey is HUWLTARRRFCIKC-INIZCTEOSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-12(2)16(20-13(3)22)17(23)19-11-14-4-5-18-15(10-14)21-6-8-24-9-7-21/h4-5,10,12,16H,6-9,11H2,1-3H3,(H,19,23)(H,20,22)/t16-/m0/s1.
What are the key properties of (2S)-2-acetamido-3-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]butanamide?
(2S)-2-acetamido-3-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]butanamide has a molecular weight of 334.42 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-3-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]butanamide is sourced from PubChem (CID 32584933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).