2-[[1-oxo-1-(pentylamino)propan-2-yl]amino]ethyl carbamate

C11H23N3O3 — CID 83210164

IUPAC2-[[1-oxo-1-(pentylamino)propan-2-yl]amino]ethyl carbamate
SMILESCCCCCNC(=O)C(C)NCCOC(N)=O
InChIInChI=1S/C11H23N3O3/c1-3-4-5-6-14-10(15)9(2)13-7-8-17-11(12)16/h9,13H,3-8H2,1-2H3,(H2,12,16)(H,14,15)
InChIKeyCHCXJPKWMJKQAQ-UHFFFAOYSA-N
MW245.32 g/mol
LogP0.37
Rot. Bonds9

About 2-[[1-oxo-1-(pentylamino)propan-2-yl]amino]ethyl carbamate

2-[[1-oxo-1-(pentylamino)propan-2-yl]amino]ethyl carbamate (PubChem CID 83210164) has the molecular formula C11H23N3O3 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-[[1-oxo-1-(pentylamino)propan-2-yl]amino]ethyl carbamate.

Molecular Properties

Compound Name2-[[1-oxo-1-(pentylamino)propan-2-yl]amino]ethyl carbamate
PubChem CID83210164
Molecular FormulaC11H23N3O3
Molecular Weight245.32 g/mol
Exact Mass245.17
IUPAC Name2-[[1-oxo-1-(pentylamino)propan-2-yl]amino]ethyl carbamate
SMILESCCCCCNC(=O)C(C)NCCOC(N)=O
InChIInChI=1S/C11H23N3O3/c1-3-4-5-6-14-10(15)9(2)13-7-8-17-11(12)16/h9,13H,3-8H2,1-2H3,(H2,12,16)(H,14,15)
InChIKeyCHCXJPKWMJKQAQ-UHFFFAOYSA-N
XLogP0.37
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]ethyl carbamate
CID 83210549
2-[(3-amino-3-oxopropyl)amino]-N-pentylpropanamide
CID 43553504
2-(3-methoxypropylamino)-N-pentylpropanamide
CID 43131874
N-(2-methoxyethyl)-2-(nonylamino)propanamide
CID 115574851
2-[(1-amino-1-oxopropan-2-yl)amino]ethyl carbamate
CID 83211096
N-pentyl-2-(2-phenoxyethylamino)propanamide
CID 60720089
2-(2-carbamoyloxyethylamino)propanoic acid
CID 83210628
2-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]ethyl carbamate
CID 83211432
methyl 2-(octylamino)propanoate
CID 60780709
methyl 2-(tetradecylamino)propanoate
CID 174995791
2-[(2-amino-2-oxoethoxy)amino]-N-pentylpropanamide
CID 112673608
2-(propan-2-ylamino)ethyl carbamate
CID 79338127

Frequently Asked Questions

What is the IUPAC name of 2-[[1-oxo-1-(pentylamino)propan-2-yl]amino]ethyl carbamate?
The IUPAC name of 2-[[1-oxo-1-(pentylamino)propan-2-yl]amino]ethyl carbamate (CID 83210164) is 2-[[1-oxo-1-(pentylamino)propan-2-yl]amino]ethyl carbamate.
What is the SMILES notation for 2-[[1-oxo-1-(pentylamino)propan-2-yl]amino]ethyl carbamate?
The canonical SMILES for 2-[[1-oxo-1-(pentylamino)propan-2-yl]amino]ethyl carbamate is CCCCCNC(=O)C(C)NCCOC(N)=O.
What is the InChIKey of 2-[[1-oxo-1-(pentylamino)propan-2-yl]amino]ethyl carbamate?
The InChIKey is CHCXJPKWMJKQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3/c1-3-4-5-6-14-10(15)9(2)13-7-8-17-11(12)16/h9,13H,3-8H2,1-2H3,(H2,12,16)(H,14,15).
What are the key properties of 2-[[1-oxo-1-(pentylamino)propan-2-yl]amino]ethyl carbamate?
2-[[1-oxo-1-(pentylamino)propan-2-yl]amino]ethyl carbamate has a molecular weight of 245.32 g/mol, XLogP of 0.37, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-oxo-1-(pentylamino)propan-2-yl]amino]ethyl carbamate is sourced from PubChem (CID 83210164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).