N-[[1-(aminomethyl)cyclopentyl]methyl]-3-propan-2-yloxybenzamide

C17H26N2O2 — CID 115365539

IUPACN-[[1-(aminomethyl)cyclopentyl]methyl]-3-propan-2-yloxybenzamide
SMILESCC(C)Oc1cccc(C(=O)NCC2(CN)CCCC2)c1
InChIInChI=1S/C17H26N2O2/c1-13(2)21-15-7-5-6-14(10-15)16(20)19-12-17(11-18)8-3-4-9-17/h5-7,10,13H,3-4,8-9,11-12,18H2,1-2H3,(H,19,20)
InChIKeyDVFLEDUXQSBFRF-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.72
Rot. Bonds6

About N-[[1-(aminomethyl)cyclopentyl]methyl]-3-propan-2-yloxybenzamide

N-[[1-(aminomethyl)cyclopentyl]methyl]-3-propan-2-yloxybenzamide (PubChem CID 115365539) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopentyl]methyl]-3-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopentyl]methyl]-3-propan-2-yloxybenzamide
PubChem CID115365539
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[[1-(aminomethyl)cyclopentyl]methyl]-3-propan-2-yloxybenzamide
SMILESCC(C)Oc1cccc(C(=O)NCC2(CN)CCCC2)c1
InChIInChI=1S/C17H26N2O2/c1-13(2)21-15-7-5-6-14(10-15)16(20)19-12-17(11-18)8-3-4-9-17/h5-7,10,13H,3-4,8-9,11-12,18H2,1-2H3,(H,19,20)
InChIKeyDVFLEDUXQSBFRF-UHFFFAOYSA-N
XLogP2.72
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(bromomethyl)cyclopentyl]methyl]-3-propan-2-yloxybenzamide
CID 115364317
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-propan-2-yloxybenzamide
CID 114757262
N-[[1-(aminomethyl)cyclopropyl]methyl]-3-hydroxybenzamide
CID 115456719
N-[[1-(chloromethyl)cyclohexyl]methyl]-3-methoxybenzamide
CID 103969532
N-propan-2-yl-3-propan-2-yloxybenzamide
CID 8779048
N-[[1-(aminomethyl)cyclopentyl]methyl]-3,4-dimethoxybenzamide
CID 115365522
N-(4-amino-2-methylbutyl)-3-propan-2-yloxybenzamide
CID 66090435
N-[[1-(aminomethyl)cyclopentyl]methyl]-4-(difluoromethoxy)benzamide
CID 115365450
(1-aminocyclohexyl)-(3-propan-2-yloxyphenyl)methanone
CID 116550565
N-[[1-(aminomethyl)cyclopentyl]methyl]-3-hydroxy-4-methylbenzamide
CID 115365565
N-[[1-(aminomethyl)cyclopentyl]methyl]-3,4-difluorobenzamide
CID 115365383
N-[3-(aminomethyl)pentan-3-yl]-3-propan-2-yloxybenzamide
CID 63767069

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopentyl]methyl]-3-propan-2-yloxybenzamide?
The IUPAC name of N-[[1-(aminomethyl)cyclopentyl]methyl]-3-propan-2-yloxybenzamide (CID 115365539) is N-[[1-(aminomethyl)cyclopentyl]methyl]-3-propan-2-yloxybenzamide.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopentyl]methyl]-3-propan-2-yloxybenzamide?
The canonical SMILES for N-[[1-(aminomethyl)cyclopentyl]methyl]-3-propan-2-yloxybenzamide is CC(C)Oc1cccc(C(=O)NCC2(CN)CCCC2)c1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopentyl]methyl]-3-propan-2-yloxybenzamide?
The InChIKey is DVFLEDUXQSBFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13(2)21-15-7-5-6-14(10-15)16(20)19-12-17(11-18)8-3-4-9-17/h5-7,10,13H,3-4,8-9,11-12,18H2,1-2H3,(H,19,20).
What are the key properties of N-[[1-(aminomethyl)cyclopentyl]methyl]-3-propan-2-yloxybenzamide?
N-[[1-(aminomethyl)cyclopentyl]methyl]-3-propan-2-yloxybenzamide has a molecular weight of 290.41 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopentyl]methyl]-3-propan-2-yloxybenzamide is sourced from PubChem (CID 115365539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).